N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide

C18H18N2O3S — CID 6324332

IUPACN-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)NCc3ccccc3)cc12
InChIInChI=1S/C18H18N2O3S/c1-12-9-17(21)20-18-13(2)8-15(10-16(12)18)24(22,23)19-11-14-6-4-3-5-7-14/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyOTHPCDDWWLQOQB-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.62
Rot. Bonds4

About N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide

N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 6324332) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID6324332
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)NCc3ccccc3)cc12
InChIInChI=1S/C18H18N2O3S/c1-12-9-17(21)20-18-13(2)8-15(10-16(12)18)24(22,23)19-11-14-6-4-3-5-7-14/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyOTHPCDDWWLQOQB-UHFFFAOYSA-N
XLogP2.62
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide (CID 6324332) is N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide is Cc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)NCc3ccccc3)cc12.
What is the InChIKey of N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is OTHPCDDWWLQOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-9-17(21)20-18-13(2)8-15(10-16(12)18)24(22,23)19-11-14-6-4-3-5-7-14/h3-10,19H,11H2,1-2H3,(H,20,21).
What are the key properties of N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 6324332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).